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Cyclobut[c]inden-7(8H)-one, 3,6-dibromooctahydro-2a,4a,5,8-tetramethyl-, [2aR-(2.alpha.,3.beta.,4a.beta.,5.beta.,6.alpha.,8.alp ha.,8aS*)]-
SpectraBase Compound ID A49Xy7zE4ng
InChI InChI=1S/C15H22Br2O/c1-8-11(17)12(18)9(2)15-6-5-13(15,3)10(16)7-14(8,15)4/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11-,13-,14+,15+/m0/s1
InChIKey DZASHWYZXQVNJH-PBWXBIPYSA-N
Mol Weight 378.15 g/mol
Molecular Formula C15H22Br2O
Exact Mass 376.003741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApFGYKzHcNH
Name Cyclobut[c]inden-7(8H)-one, 3,6-dibromooctahydro-2a,4a,5,8-tetramethyl-, [2aR-(2.alpha.,3.beta.,4a.beta.,5.beta.,6.alpha.,8.alp ha.,8aS*)]-
Alternate Name(s) (1S,2R,4S,5R,6R,8S,9R)-4,8-dibromo-2,5,6,9-tetramethyltricyclo[7.2.0.0(1,6)]undecan-3-one (2aR,3S,4aR,5R,6S,8R,8aS)-3,6-dibromo-2a,4a,5,8-tetramethyloctahydrocyclobuta[c]inden-7(8H)-one
CAS Registry Number 125136-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22Br2O
InChI InChI=1S/C15H22Br2O/c1-8-11(17)12(18)9(2)15-6-5-13(15,3)10(16)7-14(8,15)4/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11-,13-,14+,15+/m0/s1
InChIKey DZASHWYZXQVNJH-PBWXBIPYSA-N
Molecular Weight 378.148 g/mol
SMILES [C@@]123[C@@]([C@@](C)([C@@](C([C@@]3(C)[H])=O)(Br)[H])[H])(C[C@@]([C@]1(C)CC2)(Br)[H])C
SPLASH splash10-0002-7960000000-bc7a4673fd08511e829c
Source of Spectrum B-42-1702-3
Wiley ID 1357440